SCHEMBL7548629

SCHEMBL7548629

O=C(NCCCC(NC(=O)c1c(Cl)cccc1Cl)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.55
ITGA5 P08648 6/20 0.55
ITGB2 P05107 1/20 0.51
ICAM1 P05362 1/20 0.51
ITGAL P20701 1/20 0.51
ITGA4 P13612 8/20 0.48
ITGB7 P26010 3/20 0.48
FOLH1 Q04609 3/20 0.48
ITGA2 P17301 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ITGAV P06756 3/20 0.45
ITGB3 P05106 1/20 0.45
HDAC1 Q13547 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7539479 0.96 ITGB1 (0.54) ITGB1ITGA5ITGB2ICAM1ITGAL
SCHEMBL7545114 0.90 ITGB2 (0.57) ITGB1ITGA5ITGB2ICAM1ITGAL
SCHEMBL7542115 0.89 TAAR1 (0.50) ITGB1ITGA5ITGB2ICAM1ITGAL
SCHEMBL7538483 0.89 ITGB1 (0.50) ITGB1ITGA5ITGB2ICAM1ITGAL
SCHEMBL7544739 0.88 ITGB2 (0.56) ITGB1ITGA5ITGB2ICAM1ITGAL
SCHEMBL7540918 0.87 FOLH1 (0.51) ITGB1ITGA5ITGA4ITGB7FOLH1
SCHEMBL7540907 0.86 ITGB1 (0.46) ITGB1ITGA5ITGB2ICAM1ITGAL
SCHEMBL7540693 0.86 TAAR1 (0.49) ITGB1ITGA5ITGA4ITGB7FOLH1
SCHEMBL7541262 0.86 TAAR1 (0.49) ITGB1ITGA5ITGA4ITGB7FOLH1
SCHEMBL7541875 0.85 TAS1R3 (0.47) ITGB1ITGA5ITGB2ICAM1ITGAL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed